Gao Shan, Liao Quanwen, Liu Wei, Liu Zhichun
School of Energy and Power Engineering, Huazhong University of Science and Technology (HUST) , Wuhan 430074, China.
J Phys Chem Lett. 2018 Jan 4;9(1):13-18. doi: 10.1021/acs.jpclett.7b02939. Epub 2017 Dec 14.
Conducting experimental studies on nanoscale droplet coalescence using traditional microscopes is a challenging research topic, and views differ as to whether the spontaneous removal can occur in the coalescing nanodroplets. Here, a molecular dynamics simulation is carried out to investigate the coalescence process of two equally sized nanodroplets. On the basis of atomic coordinates, we compute the liquid bridge radii for various cases, which is described by a power law of spreading time, and these nanodroplets undergo coalescence in the inertially limited-viscous regime. Moreover, coalescence-induced jumping is also possible for the nanodroplets, and the attraction force between surface and water molecules plays a crucial role in this process, where the merged nanodroplets prefer to jump away from those surfaces with lower attraction force. When the solid-liquid interaction intensity and surface structure parameters are varied, the attraction force is shown to decrease with decreasing surface wettability intensity and solid fraction.
使用传统显微镜对纳米级液滴聚并进行实验研究是一个具有挑战性的研究课题,对于聚并的纳米液滴中是否会发生自发去除,存在不同观点。在此,进行了分子动力学模拟以研究两个等尺寸纳米液滴的聚并过程。基于原子坐标,我们计算了各种情况下的液桥半径,其由扩展时间的幂律描述,并且这些纳米液滴在惯性受限粘性区域内发生聚并。此外,纳米液滴也可能发生聚并诱导跳跃,表面与水分子之间的吸引力在这一过程中起关键作用,合并后的纳米液滴更倾向于从吸引力较低的表面跳离。当固液相互作用强度和表面结构参数变化时,吸引力随表面润湿性强度和固体分数的降低而减小。